6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine

C16H19Cl2FN6 — CID 154877268

IUPAC6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine
SMILESNc1nc(Cl)c(N)c(NC2CCCN(Cc3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C16H19Cl2FN6/c17-12-6-10(19)4-3-9(12)7-25-5-1-2-11(8-25)22-15-13(20)14(18)23-16(21)24-15/h3-4,6,11H,1-2,5,7-8,20H2,(H3,21,22,23,24)
InChIKeyMLIBXHZXJBEKBU-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.16
Rot. Bonds4

About 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine

6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine (PubChem CID 154877268) has the molecular formula C16H19Cl2FN6 and a molecular weight of 385.27 g/mol. Its IUPAC name is 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine
PubChem CID154877268
Molecular FormulaC16H19Cl2FN6
Molecular Weight385.27 g/mol
Exact Mass384.10
IUPAC Name6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine
SMILESNc1nc(Cl)c(N)c(NC2CCCN(Cc3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C16H19Cl2FN6/c17-12-6-10(19)4-3-9(12)7-25-5-1-2-11(8-25)22-15-13(20)14(18)23-16(21)24-15/h3-4,6,11H,1-2,5,7-8,20H2,(H3,21,22,23,24)
InChIKeyMLIBXHZXJBEKBU-UHFFFAOYSA-N
XLogP3.16
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine with MolForge

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Related Compounds

6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053759
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111116918
(2S)-2-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 119884082
1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119884065
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 146136430
(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119884047
(2S,5R)-5-(aminomethyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxolane-2-carboxamide
CID 120800404
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]acetamide;dihydrochloride
CID 119884077
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86936262
1-[(2-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041991
5-acetamido-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-hydroxybenzamide
CID 86937585

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine (CID 154877268) is 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine is Nc1nc(Cl)c(N)c(NC2CCCN(Cc3ccc(F)cc3Cl)C2)n1.
What is the InChIKey of 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine?
The InChIKey is MLIBXHZXJBEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2FN6/c17-12-6-10(19)4-3-9(12)7-25-5-1-2-11(8-25)22-15-13(20)14(18)23-16(21)24-15/h3-4,6,11H,1-2,5,7-8,20H2,(H3,21,22,23,24).
What are the key properties of 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine?
6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine has a molecular weight of 385.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 154877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).